CID 54593333

Ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCOC(=O)C1=C(SC=N1)NC
InChI
InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8-2)12-4-9-5/h4,8H,3H2,1-2H3
InChIKey
GFPQIPQFZKUSOB-UHFFFAOYSA-N
Compound name
ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

186.0463 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 138.2
[M+Na]+ 209.03552 146.7
[M-H]- 185.03902 141.1
[M+NH4]+ 204.08012 158.9
[M+K]+ 225.00946 145.2
[M+H-H2O]+ 169.04356 131.9
[M+HCOO]- 231.04450 158.1
[M+CH3COO]- 245.06015 181.1
[M+Na-2H]- 207.02097 140.2
[M]+ 186.04575 141.9
[M]- 186.04685 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe